(1S,2R,1'S,2'R)-(+/-)-atracurium besylate

chemical compound

Wikidata entity: Q27268448

C₆₅H₈₂N₂O₁₈S₂ (P274)

Quantities

P2067mass1242.5

P233 canonical SMILES String C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)C.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-] ???
P31 instance of ... Q113145171 (type of chemical entity) type of chemical entity
P2017 isomeric SMILES String C[N@@+]1(CCC2=CC(=C(C=C2[C@@H]1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N@+]4(CCC5=CC(=C(C=C5[C@@H]4CC6=CC(=C(C=C6)OC)OC)OC)OC)C.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-] ???
P3364 stereoisomer of ... Q267669 (cisatracurium besylate) cisatracurium besylate
P3364 stereoisomer of ... Q27273698 ((1R,2R,1'R,2'S)-(+/-)-atracurium besylate) (1R,2R,1'R,2'S)-(+/-)-atracurium besylate
P3364 stereoisomer of ... Q27294657 ((1R,2R,1'S,2'R)-(+/-)-atracurium besylate) (1R,2R,1'S,2'R)-(+/-)-atracurium besylate
P279 subclass of ... Q11173 (chemical compound) chemical compound
External Ids
P231CAS Registry Number1599467-99-8
P661ChemSpider ID32698331
P234InChIInChI=1S/C53H72N2O12.2C6H6O3S/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6;2*7-10(8,9)6-4-2-1-3-5-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3;2*1-5H,(H,7,8,9)/q+2;;/p-2/t42-,43-,54+,55+;;/m0../s1
P235InChIKeyXXZSQOVSEBAPGS-WIAUSSBUSA-L
P662PubChem CID73416100
P11089UniChem compound ID76425495
P652UNII7K8HW7B7OP

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